Add SIMPLE_NN_SiO2 files

README.md

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+---
+configs:
+- config_name: default
+  data_files: "co/*.parquet"
+- config_name: info
+  data_files: "ds.parquet"
+license: gpl-3.0
+tags:
+- molecular dynamics
+- mlip
+- interatomic potential
+pretty_name: SIMPLE NN SiO2
+---
+### <details><summary>Cite this dataset </summary>Lee, K., Yoo, D., Jeong, W., and Han, S. _SIMPLE NN SiO2_. ColabFit, 2023. https://doi.org/10.60732/9903bf08</details>  
+#### This dataset has been curated and formatted for the ColabFit Exchange  
+#### This dataset is also available on the ColabFit Exchange:  
+https://materials.colabfit.org/id/DS_w2ngtxl0ep5d_0  
+#### Visit the ColabFit Exchange to search additional datasets by author, description, element content and more.  
+https://materials.colabfit.org
+<br><hr>  
+# Dataset  Name  
+SIMPLE NN SiO2  
+### Description  
+10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.  
+### Dataset authors  
+Kyuhyun Lee, Dongsun Yoo, Wonseok Jeong, Seungwu Han  
+### Publication  
+https://doi.org/10.1016/j.cpc.2019.04.014  
+### Original data link  
+https://doi.org/10.17632/pjv2yr7pvr.1  
+### License  
+GPL-3.0  
+### Number of unique molecular configurations  
+9997  
+### Number of atoms  
+599820  
+### Elements included  
+O, Si  
+### Properties included  
+energy, atomic forces, cauchy stress  
+<br>
+<hr>  
+
+# Usage  
+- `ds.parquet` : Aggregated dataset information.  
+- `co/` directory: Configuration rows each include a structure, calculated properties, and metadata.  
+- `cs/` directory : Configuration sets are subsets of configurations grouped by some common characteristic. If `cs/` does not exist, no configurations sets have been defined for this dataset.  
+- `cs_co_map/` directory : The mapping of configurations to configuration sets (if defined).  
+<br>
+#### ColabFit Exchange documentation includes descriptions of content and example code for parsing parquet files:  
+- [Parquet parsing: example code](https://materials.colabfit.org/docs/how_to_use_parquet)  
+- [Dataset info schema](https://materials.colabfit.org/docs/dataset_schema)  
+- [Configuration schema](https://materials.colabfit.org/docs/configuration_schema)  
+- [Configuration set schema](https://materials.colabfit.org/docs/configuration_set_schema)  
+- [Configuration set to configuration mapping schema](https://materials.colabfit.org/docs/cs_co_mapping_schema)  

co/co_0.parquet

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+version https://git-lfs.github.com/spec/v1
+oid sha256:928282d6b5dd346da9ab5d55a4ad2d521ca4c260ecd4f34002afdab1dc997f8c
+size 18401748

ds.parquet

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+version https://git-lfs.github.com/spec/v1
+oid sha256:6e5e6a6743219145aa98e1e3e6187498782de024685acf2e9804ee66cd858ae9
+size 17080